UCSF

ZINC36033866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.51 13.49 -103.54 4 5 2 60 423.388 8
Hi High (pH 8-9.5) 0.51 11.36 -34.72 3 5 1 58 422.38 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )